ethyl 2-[2-[[4-cyclohexyl-5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-cyclohexyl-5-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-cyclohexyl-5-[[(3,4-dimethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-cyclohexyl-5-[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-cyclohexyl-5-[[(3,4-dimethoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-cyclohexyl-5-[(veratroylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H39N5O6S2 MolecularWeight: 641.80126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C31H39N5O6S2/c1-4-42-30(39)27-21-12-8-9-13-24(21)44-29(27)33-26(37)18-43-31-35-34-25(36(31)20-10-6-5-7-11-20)17-32-28(38)19-14-15-22(40-2)23(16-19)41-3/h14-16,20H,4-13,17-18H2,1-3H3,(H,32,38)(H,33,37)